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Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties…
We propose two quantum algorithms for a problem in bioinformatics, position weight matrix (PWM) matching, which aims to find segments (sequence motifs) in a biological sequence such as DNA and protein that have high scores defined by the…
This paper addresses the problem of checking invariant properties for a large class of symbolic transition systems, defined by a combination of SMT theories and quantifiers. State variables can be functions from an uninterpreted sort…
Quantum linear system algorithms (QLSAs) can provide exponential speedups for the solution of linear systems, but the growth of the condition number for finite element problems can eliminate the exponential speedup. QLSAs are also incapable…
This thesis studies three topics in quantum computation and information: The approximability of quantum problems, quantum proof systems, and non-classical correlations in quantum systems. In the first area, we demonstrate a polynomial-time…
This paper is concerned with the computational complexity of equivalence and minimisation for automata with transition weights in the field Q of rational numbers. We use polynomial identity testing and the Isolation Lemma to obtain…
We give two quantum algorithms for computing (twisted) Kloosterman sums attached to a finite field $\mathbf{F}$ of $q$ elements. The first algorithm computes a quantum state containing, as its coefficients with respect to the standard…
We study the quantum summation (QS) algorithm of Brassard, Hoyer, Mosca and Tapp, that approximates the arithmetic mean of a Boolean function defined on N elements. We improve error bounds presented in [1] in the worst-probabilistic…
Neural-network quantum states (NQS) offer a versatile and expressive alternative to traditional variational ans\"atze for simulating physical systems. Energy-based frameworks, like Hopfield networks and Restricted Boltzmann Machines,…
In this paper, we study a model of quantum Markov chains that is a quantum analogue of Markov chains and is obtained by replacing probabilities in transition matrices with quantum operations. We show that this model is very suited to…
Significant challenges remain with the development of macroscopic quantum computing, hardware problems of noise, decoherence, and scaling, software problems of error correction, and, most important, algorithm construction. Finding truly…
We consider mixtures of $k\geq 2$ Gaussian components with unknown means and unknown covariance (identical for all components) that are well-separated, i.e., distinct components have statistical overlap at most $k^{-C}$ for a large enough…
The paper is devoted to an approach to solving a problem of the efficiency of parallel computing. The theoretical basis of this approach is the concept of a $Q$-determinant. Any numerical algorithm has a $Q$-determinant. The $Q$-determinant…
The steady progress of quantum hardware is motivating the search for novel quantum algorithm optimization strategies for near-term, real-world applications. In this study, we propose a novel feature map optimization strategy for Quantum…
Works in quantum machine learning (QML) over the past few years indicate that QML algorithms can function just as well as their classical counterparts, and even outperform them in some cases. Among the corpus of recent work, many current…
In seeking out an algorithm to test out the capability of the IBM Quantum Experience quantum computer, we were given a review paper covering various algorithms for solving the subset-sum problem, including both classical and quantum…
The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum…
Quantum machine learning seeks a computational advantage in data processing by evaluating functions of quantum states, such as their similarity, that can be classically intractable to compute. For quantum advantage to be possible, however,…
We propose a new method for evaluating NISQ devices. This paper has three distinct parts. First, we present a new quantum algorithm that solves a two hundred year old problem of finding quadratic nonresidues (QNR) in polynomial time. We…
We devise new quantum algorithms that exponentially speeds up the training and prediction procedures of twin support vector machines (TSVM). To train TSVMs using quantum methods, we demonstrate how to prepare the desired input states…